Information card for entry 4133964

Structure parameters

• Common name: [mCH]CuCl(ClO4)2
• Formula: C35 H49 Cl3 Cu N6 O11
• Calculated formula: C35 H49 Cl3 Cu N6 O11
• Title of publication: Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.
• Authors of publication: Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 4
• Pages of publication: 1726 - 1730
• a: 13.007 ± 0.004 Å
• b: 16.788 ± 0.005 Å
• c: 18.574 ± 0.006 Å
• α: 90°
• β: 103.666 ± 0.009°
• γ: 90°
• Cell volume: 3941 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No